Spektraris NMR
18-Hydroxyhyrtiophenol
Common Name: 18-Hydroxyhyrtiophenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O4/c1-14-7-6-8-19-22(14,3)10-9-15(2)23(19,4)13-17-11-16(21(26)27-5)12-18(24)20(17)25/h7,11-12,15,19,24-25H,6,8-10,13H2,1-5H3/t15-,19+,22+,23+/m0/s1
InChIKey: InChIKey=VXQUGYOYJDITTO-OVOQHVDUSA-N
Formula: C23H32O4
Molecular Weight: 372.498649
Exact Mass: 372.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kwak, J.H., Schmitz, F.J., Kelly, M. J Nat Prod (2000) 63, 1153-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 19.8 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 120.6 |
| 4 (C) | 144.1 |
| 5 (C) | 38.3 |
| 6 (CH2) | 35.8 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 36 |
| 9 (C) | 41.8 |
| 10 (CH) | 45.6 |
| 11 (CH3) | 18.1 |
| 12 (CH3) | 20 |
| 13 (CH3) | 17.5 |
| 14 (CH3) | 17.8 |
| 15 (CH2) | 37.1 |
| 1' (C) | 125.2 |
| 2' (C) | 148.5 |
| 3' (C) | 142.2 |
| 4' (CH) | 113.8 |
| 5' (C) | 120.5 |
| 6' (CH) | 127.6 |
| 3'a (C) | 167.1 |
| 3'b (CH3) | 52 |
